MassBank MassBank Search Contents Download

MassBank Record: KO003167

4-Hydroxyquinoline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003167
RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID H139

CH$NAME: 4-Hydroxyquinoline
CH$NAME: Quinolin-4-ol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H7NO
CH$EXACT_MASS: 145.05276
CH$SMILES: Oc(c1)c(c2)c(ccc2)nc1
CH$IUPAC: InChI=1S/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)
CH$LINK: CAS 611-36-9
CH$LINK: CHEBI 15815
CH$LINK: KEGG C06343
CH$LINK: NIKKAJI J7.017C
CH$LINK: PUBCHEM SID:8579
CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50209980

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 146
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0002-2900000000-dce3d6b40edea098324d
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  36.000 198020.0 4
  46.000 54455.5 1
  46.300 24752.5 1
  50.100 14549519.5 259
  61.000 99010.0 2
  64.300 935644.5 17
  67.900 346535.0 6
  71.900 34653.5 1
  73.900 69307.0 1
  78.100 2232675.5 40
  82.000 1094060.5 19
  84.700 29703.0 1
  86.100 34653.5 1
  92.200 24752.5 1
  96.800 123762.5 2
  100.200 34653.5 1
  101.100 19802.0 1
  105.200 460396.5 8
  110.200 59406.0 1
  111.200 1099011.0 20
  112.300 24752.5 1
  114.200 811882.0 14
  117.800 9901.0 1
  128.000 163366.5 3
  129.000 6029709.0 107
  146.100 56198076.0 999
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze